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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
6-C-alpha-L-arabinosyl-8-C-beta-L-arabinosylapigenin
534.50
-2.1
9
13
230.74
3
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]-4H-1-benzopyran-4-one
564.50
-2.2
9
14
239.97
4
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
578.50
0.5
6
15
231.88
10
(2S,3R)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside
688.60
1.2
8
16
247.43
12
2-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
688.60
1
8
16
247.43
12
N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine
260.29
-3
4
6
124.09
8
Cochlioquinone I
486.60
2.6
2
7
110.13
4
Cyanidin 3-(6''-acetyl-galactoside)
491.40
7
11
197.67
6
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
963.20
1.1
13
19
318.37
13
Gynosaponin TN2
785.00
3
9
13
218.99
9
Kaempulchraol P
288.50
5.9
1
1
20.23
1
Kaempulchraol Q
346.50
4.9
1
3
46.53
3
[(4aS,4bS,7R,9R,10aS)-7-ethenyl-4b-hydroxy-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthren-9-yl] acetate
346.50
4.7
1
3
46.53
3
[(4aR,4bR,7R,9S,10S,10aS)-7-ethenyl-10-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-9-yl] acetate
346.50
5.3
1
3
46.53
3
(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]-4-methyl-2H-furan-5-one
209.24
0.7
0
3
46.61
1
(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]-4-methyl-2H-furan-5-one
209.24
0.7
0
3
46.61
1
2-methyl-6,7-dihydro-5H-indolizin-3-one
149.19
1.2
0
1
20.31
0
N-[(4Z)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]acetamide
209.24
1
1
3
55.4
4
3-methyl-6-[(4Z)-4-(4-methyl-5-oxofuran-2-ylidene)butyl]-1,6-diazaspiro[4.5]dec-3-en-2-one
316.40
2.3
1
4
58.64
4
(E)-1-[2,4-dihydroxy-3-[(2R)-2-hydroxy-7-methyl-3-methylideneoct-6-enyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
408.50
5.9
4
5
97.99
9
2-[(2'R,3R,4aS,7S,8R,8aS)-3-hydroxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
338.50
3.6
2
4
66.76
2
2-[(2'R,3R,4aS,7S,8R,8aS)-3-acetyloxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
380.50
4.2
1
5
72.83
4
2-[(2'R,4aS,7S,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
322.50
5
1
3
46.53
2
3-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]ethyl]-2H-furan-5-one
320.50
4.4
1
3
46.53
3
3-[2-[(1R,2S,6R,8aS)-6-hydroxy-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
318.40
3.5
1
3
46.53
3
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